methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-(methylthio)phenyl]methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(methylthio)benzyl]amino]-2-morpholino-benzoic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)N3CCOCC3

InChI

InChI=1S/C20H24N2O3S/c1-24-20(23)18-13-16(5-8-19(18)22-9-11-25-12-10-22)21-14-15-3-6-17(26-2)7-4-15/h3-8,13,21H,9-12,14H2,1-2H3